1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine

C17H19ClN2 — CID 82541625

IUPAC1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(Cl)c(-c2ccc3c(c2)CCN3C)c1
InChIInChI=1S/C17H19ClN2/c1-11(19)12-3-5-16(18)15(10-12)13-4-6-17-14(9-13)7-8-20(17)2/h3-6,9-11H,7-8,19H2,1-2H3
InChIKeyJCVSFCLDBDNMOA-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.02
Rot. Bonds2

About 1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine

1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine (PubChem CID 82541625) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine
PubChem CID82541625
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(Cl)c(-c2ccc3c(c2)CCN3C)c1
InChIInChI=1S/C17H19ClN2/c1-11(19)12-3-5-16(18)15(10-12)13-4-6-17-14(9-13)7-8-20(17)2/h3-6,9-11H,7-8,19H2,1-2H3
InChIKeyJCVSFCLDBDNMOA-UHFFFAOYSA-N
XLogP4.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine
CID 82541614
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
4-[5-(1-aminoethyl)-2-chlorophenyl]benzoic acid
CID 82541823
1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine
CID 82541962
3-[5-(1-aminoethyl)-2-chlorophenyl]phenol
CID 115046198
(1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine
CID 63368334
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900549
N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102661838
3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline
CID 82541933
1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541566
1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine
CID 82541998
4-chloro-N-(4-hydroxycyclohexyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 123176097

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine (CID 82541625) is 1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine is CC(N)c1ccc(Cl)c(-c2ccc3c(c2)CCN3C)c1.
What is the InChIKey of 1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine?
The InChIKey is JCVSFCLDBDNMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-11(19)12-3-5-16(18)15(10-12)13-4-6-17-14(9-13)7-8-20(17)2/h3-6,9-11H,7-8,19H2,1-2H3.
What are the key properties of 1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine?
1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine has a molecular weight of 286.81 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine is sourced from PubChem (CID 82541625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).